C064-0027 Screening compound: 4-methoxy-N-{2-[3-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide

C064-0027 Screening compound: 4-methoxy-N-{2-[3-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide
C064-0027 Screening compound: 4-methoxy-N-{2-[3-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C064-0027
4-methoxy-N-{2-[3-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C064-0027

Molecular Formula

C27H27N3O4S (C27 H27 N3 O4 S)

Compound Name

4-methoxy-N-{2-[3-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide

IUPAC name

4-methoxy-N-{2-[3-({[(4-methoxyphenyl)carbamoyl]methyl}sulfanyl)-1H-indol-1-yl]ethyl}benzamide

SMILES

COc(cc1)ccc1C(NCCn1c(cccc2)c2c(SCC(Nc(cc2)ccc2OC)=O)c1)=O

InChI

InChI=1S/C27H27N3O4S/c1-33-21-11-7-19(8-12-21)27(32)28-15-16-30-17-25(23-5-3-4-6-24(23)30)35-18-26(31)29-20-9-13-22(34-2)14-10-20/h3-14,17H,15-16,18H2,1-2H3,(H,28,32)(H,29,31)

InChI Key

JGDFFDPHVWMWQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04454067

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.055

Distribution Coefficient, logD

4.055

Water Solubility, LogSw

-3.98

Polar Surface Area

64.441

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

C064-0027 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C064-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C064-0027?
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What is the minimum amount of C064-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C064-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C064-0027
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C064-0027 available by request